Jakiul Islam, A. K. M. Akther Hossain
Abstract Inorganic non-toxic metal halide perovskites have taken the dominant place in commercialization of the optoelectronic devices. The first principles simulation has been executed with the help of density functional theory to investigate the structural, optical, electronic and mechanical prope...
M. Khalid Hossain, Rajesh Chanda, A. El-Denglawey, Md Tanvir Emrose et al.
M. A. Islam, Jakiul Islam, M. Nazrul Islam, Sapan Kumar Sen et al.
Eco-friendly inorganic halide perovskite materials with numerous structural configurations and compositions are now in the leading place of researcher’s attention for outstanding photovoltaic and optoelectronic performance. In the present approach, density functional theory calculations have been pe...
Nazmul Hasan, Md Arifuzzaman, Alamgir Kabir
Inorganic metal-halide cubic perovskite semiconductors have become more popular in industrial applications of photovoltaic and optoelectronic devices.
Md. Habibur Rahman, Md Jubair, Md. Zahidur Rahaman, Mohammad Shamim Ahasan et al.
This work summarizes that RbSnX 3 (X = Cl, Br, I) exhibits remarkable ductility and absorption in the ultraviolet (UV) region of the electromagnetic spectrum compared to those of CsBX 3 (B = Ge, Sn, Pb; X = Cl, Br, I) metal halide perovskites.
Md. Nurul Islam, M.A. Hadi, Jiban Podder
Metal halide perovskites have become more popular for applications in solar cells and optoelectronic devices. In this study, the structural, electronic, mechanical, and optical properties of lead and lead-free metal halide cubic perovskites CsPbBr3 and CsGeBr3 and their Ni-doped structures have been...
Khandaker Monower Hossain, Md. Zahid Hasan, Md. Lokman Ali
The structural, mechanical, and electronic properties of perovskite molybdates are a topic of frequent study in materials science. In this study, the influence of Mg doping on the physical metallurgy of perovskite molybdates is investigated using first-principles calculations based on density functi...
Md. Ferdous Rahman, Md. Harun‐Or‐Rashid, Md. Rasidul Islam, Avijit Ghosh et al.
Abstract Inorganic perovskite materials have drawn great attention in the realm of solar technology because of their remarkable structural, electronic, and optical properties. Herein, we investigated strain-modulated electronic and optical properties of Sr 3 PI 3 , utilizing first-principles density...
M. Khalid Hossain, Manik Chandra Biswas, Rajesh Chanda, Mirza H. K. Rubel et al.
F. Zerarga, D. Allali, A. Bouhemadou, R. Khenata et al.
M. A. Islam, Md. Zahidur Rahaman, Sapan Kumar Sen
All-inorganic cubic cesium germanium bromide (CsGeBr3) and cesium tin bromide (CsSnBr3) perovskites have attracted much attention because of their outstanding optoelectronic properties that lead to many modern technological applications. During their evolution process, it can be helpful to decipher ...
Mehedi Hasan, Sharifa Nasrin, M. Nazrul Islam, Aslam Hossain
A comparative study on mechanical, thermodynamic, electronic, and optical properties has been performed on various compounds having an ABO3, where A = Ba, Ca, Sr and B = Ce, Ti, Zr, perovskite structure using first-principles calculations. These materials’ properties have been thoroughly investigate...
Md. Rasidul Islam, Md. Rayid Hasan Mojumder, Raza Moshwan, A. S. M. Jannatul Islam et al.
Of late, inorganic perovskite material, especially the lead-free CsGeBr 3, has gained considerable interest in the green photovoltaic industry due to its outstanding optoelectronic, thermal, and elastic properties. This work systematically investigated the strain-driven optical, electronic, and mech...
M. Atikur Rahman, Sayed Syful Islam, Md Ali Rayhan, Alamgir Kabir et al.
Khandaker Monower Hossain, Md. Zahid Hasan, Md. Lokman Ali
Perovskite halides are the most promising current candidates for the construction of solar cells and other photovoltaic devices. This is the first theoretical approach to explore the effects of Mn-doping on the optoelectronic performance of the lead-free halide CsGeBr3 and the lead-bearing halide Cs...
Jahid Kabir Rony, Minhajul Islam, Md Saiduzzaman, Khandaker Monower Hossain et al.
Inorganic, non-toxic metal halide perovskites are the benchmark for optoelectronic device commercialization. Due to their significant importance, the density functional theory-based ab initio method was engaged to study the fundamental physical properties of metal halide perovskites TlBX3 (B = Ge, S...
Md. Nurul Islam, Jiban Podder, Tusar Saha, Protima Rani
octahedra, which reduces the density of states of the Fermi surface and lowers the total energy. The mechanical behaviors demonstrated that the studied materials are mechanically stable as well as ductile and their ductile nature is enhanced by the driving pressure. The absorption peak is shifted to...
Md. Sajib Hossain, Md. Majibul Haque Babu, Tusar Saha, Md. Sazzad Hossain et al.
Phase transitions in metal halide perovskites triggered by external provocations produce significantly different material properties, providing a prodigious opportunity for comprehensive applications. In the present study, the first principles calculation has been performed with the help of density ...
Mirza H. K. Rubel, S.K. Mitro, M. Khalid Hossain, Khandaker Monower Hossain et al.
In this present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of density functional theory (DFT) is utilized to investigate the various physical properties on (Ba0.82K0.18)(Bi0.53Pb0.47)O3 (BKBPO) single perovskite superconductor. We have analyzed elastic constants and moduli a...
M.A.H. Shah, M. Nuruzzaman, A. Hossain, Md Jubair et al.